SCHEMBL28414034

SCHEMBL28414034

Cc1ccc2c(nc(C(F)(F)F)n2C(N)=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PRF1 P14222 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PIK3C2B O00750 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL3294049 0.80 KMT2A (0.35) PRF1LMNAMAPTMEN1ALDH1A1
SCHEMBL17883793 0.69 MKNK1 (0.43) LMNAMAPTMEN1ALDH1A1HPGD
SCHEMBL28411172 0.67 RAB9A (0.37) PRF1LMNAMAPTMEN1ALDH1A1
SCHEMBL2370964 0.64 PARP1 (0.43) LMNAPIK3C2BCYP1A2CYP2C9CYP2C19
SCHEMBL12724792 0.64 PDE3B (0.36) LMNAMAPTMEN1ALDH1A1POLB
SCHEMBL20740807 0.64 DAO (0.34) ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL15112010 0.62 KMT2A (0.40) PRF1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL30241135 0.61 PTGDR2 (0.40) PRF1MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL28995653 0.61 KDM4E (0.35) TP53LMNAMAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL28791312 0.61 KMT2A (0.39) PRF1MEN1ALDH1A1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646989-A Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-09-11 — — CN disclosed
CN-107428751-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-06-30 — — CN disclosed
CN-107108612-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-05-15 — — CN disclosed
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