SCHEMBL28975604

SCHEMBL28975604

O=C(OCc1ccccc1)C1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 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
SCHEMBL28975603 1.00 FKBP1A (0.49) FKBP1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7362332 0.86 FKBP1A (0.45) FKBP1ASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL9367912 0.86 FKBP1A (0.45) FKBP1ASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7122099 0.81 FKBP1A (0.44) FKBP1ACYP2C19HTR2CFABP7FABP5
SCHEMBL7122146 0.81 POLB (0.43) FKBP1AHTR2CFABP7FABP5
SCHEMBL2771369 0.80 KMT2A (0.44) FKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL28457749 0.80 KMT2A (0.44) FKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL25971417 0.78 FKBP1A (0.49) FKBP1ASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL5688777 0.78 ALDH1A1 (0.40) SMN1; SMN2
SCHEMBL5688772 0.78 ALDH1A1 (0.40) SMN1; SMN2

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-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 CN disclosed