SCHEMBL9640780

SCHEMBL9640780

OC(CCc1c[nH]cn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.42
PRKACA P17612 2/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
LATS1 O95835 1/20 0.39
PRKACB P22694 1/20 0.39
RPS6KB1 P23443 1/20 0.39
GRK2 P25098 1/20 0.39
RPS6KA3 P51812 1/20 0.39
PRKCD Q05655 1/20 0.39
ROCK1 Q13464 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
SGK3 Q96BR1 1/20 0.39

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
SCHEMBL9641613 0.94 BCL2 (0.47) BCL2PRKACAAKT1AKT2AKT3
SCHEMBL9640737 0.84 CHRM3 (0.41) KMT2AMEN1MAPK1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9642016 0.83 CHRM3 (0.43) KMT2AMEN1MAPK1SMN1; SMN2LMNA
SCHEMBL9281271 0.76 MAPT (0.38) RPS6KB1HTTPOLBLMNA
SCHEMBL9640768 0.74 CCR2 (0.35) KMT2AMEN1LMNA
SCHEMBL224352 0.74 DAO (0.41) HTTKMT2AMEN1TSHRMAPK1
SCHEMBL9092179 0.73 OPRM1 (0.39) RPS6KB1HTTPOLBSMN1; SMN2LMNA
SCHEMBL9641967 0.71 CHRM3 (0.34)
SCHEMBL9641145 0.70 KMT2A (0.43) KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL1300384 0.70 NPC1 (0.52) KMT2AMEN1TSHRSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311447-B1 AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1992-08-26 EP claimed
EP-0311447-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1989-04-12 EP claimed
EP-0311447-B1 AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1992-08-26 EP disclosed
US-5098923-A Antiestrogens, anticarcinogenic agents or fungicides FARMOS-YHTYMA OY (FI) 1992-03-24 US disclosed
EP-0311447-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1989-04-12 EP disclosed