SCHEMBL28466951

SCHEMBL28466951

Cc1nc([N+](=O)[O-])ccc1Cc1cn(C(=O)O)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ PKM P14618 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MITF O75030 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CTSB P07858 1/20 0.34

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
SCHEMBL22978450 0.87 ELANE (0.39) ELANEPOLBALDH1A1CYP2D6CYP2C9
SCHEMBL28465215 0.83 ELANE (0.43) ELANEALDH1A1KDM4E
SCHEMBL11027996 0.73 ELANE (0.48) ELANEKDM4ENPC1LMNAHTT
SCHEMBL28462480 0.70 ELANE (0.44) ELANEKDM4E
SCHEMBL21906312 0.70 CSF1R (0.43) ELANECYP2C9KDM4ERXFP1MAPT
SCHEMBL28337392 0.70 CSF1R (0.45) ELANEALDH1A1KDM4EKCNH2
SCHEMBL22978451 0.70 L3MBTL1 (0.41) ELANEPOLBBRD4HSP90AA1
SCHEMBL28337393 0.69 ELANE (0.33) ELANEKCNH2
SCHEMBL30069016 0.69 ELANE (0.49) ELANEALDH1A1KDM4EHTT
SCHEMBL28673352 0.69 ELANE (0.49) ELANEALDH1A1KDM4EHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461849-B CSF1R inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2020-09-01 — — CN disclosed
CN-110461849-A A kind of CSF1R inhibitor and its preparation method and application ABBISKO THERAPEUTICS CO LTD 2019-11-15 — — CN disclosed
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