SCHEMBL28718113

SCHEMBL28718113

CCCc1c[nH]nc1-c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29254944 0.85 CA2 (0.39) ESR1MAPK1USP2TP53MAPT
SCHEMBL11624564 0.83 ALOX15 (0.41) KDM4ETP53MAPTALOX15HSD17B10
SCHEMBL11679230 0.74 CCNB2 (0.44) CYP1A2CYP2C9CYP2C19KMT2AHSD17B10
SCHEMBL20782127 0.73 CTSS (0.41) MAPK1CYP1A2MAPTCYP2C9ALOX12
SCHEMBL18757602 0.73 PDPK1 (0.42) ESR1MAPK1USP2TP53MAPT
SCHEMBL5584092 0.72 GPR84 (0.49) MAPK1CYP1A2MAPTCYP2C9ALOX15
SCHEMBL12844023 0.72 JAK2 (0.40) GSK3AGSK3BJAK2JAK3
SCHEMBL16204172 0.70 PRMT1 (0.43) —
SCHEMBL12844144 0.69 ALDH1A1 (0.38) MAPK1KDM4EMAPTTSHRKMT2A
SCHEMBL11123121 0.68 ALOX15 (0.43) KDM4ELMNACYP1A2MAPTCYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114342873-B Method for preparing ZZ genotype Chinese softshell turtle pseudo-female individual by using non-hormone compound 浙江万里学院 2022-11-25 — — CN claimed
CN-114342873-A Method for preparing ZZ genotype Chinese softshell turtle pseudo-female individual by using non-hormone compound 浙江万里学院 2022-04-15 — — CN claimed
CN-116376826-A Compositions and methods for immune cell modulation in adoptive immunotherapy 菲特治疗公司 2023-07-04 — — CN disclosed
CN-108473959-B Compositions and methods for immune cell modulation in adoptive immunotherapy 菲特治疗公司 2023-04-21 — — CN disclosed
CN-114342873-B Method for preparing ZZ genotype Chinese softshell turtle pseudo-female individual by using non-hormone compound 浙江万里学院 2022-11-25 — — CN disclosed
CN-114342873-B Method for preparing ZZ genotype Chinese softshell turtle pseudo-female individual by using non-hormone compound 浙江万里学院 2022-11-25 — — CN disclosed
CN-114342873-A Method for preparing ZZ genotype Chinese softshell turtle pseudo-female individual by using non-hormone compound 浙江万里学院 2022-04-15 — — CN disclosed
CN-114342873-A Method for preparing ZZ genotype Chinese softshell turtle pseudo-female individual by using non-hormone compound 浙江万里学院 2022-04-15 — — CN disclosed
CN-114144522-A Methods for labeling and encoding pre-existing compound libraries X-化学有限公司 2022-03-04 — — CN disclosed
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