SCHEMBL20116566

SCHEMBL20116566

CCn1nc2cc(C)ccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ADORA2A P29274 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ ATM Q13315 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
SCHEMBL21120831 0.85 MCHR1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL22357765 0.80 ADORA2A (0.35) KDM4EALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL12163 0.75 KIT (0.41) KDM4EALDH1A1CYP1A2LMNAMAPT
SCHEMBL16369689 0.71 LMNA (0.42) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL15792334 0.71 ADORA2A (0.37) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL20116573 0.70 ADORA2A (0.67) SMN1; SMN2LMNAHTTADORA2AADORA2B
SCHEMBL20116571 0.70 MPO (0.38) KDM4EALDH1A1SMN1; SMN2CYP1A2LMNA
SCHEMBL15617395 0.70 GPR139 (0.56) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL28710100 0.68 APOBEC3A (0.36) KDM4EALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL3483114 0.68 ADORA2A (0.33) KDM4ESMN1; SMN2LMNAHTTADORA2A

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
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — WO disclosed
Send feedback