SCHEMBL903573

SCHEMBL903573

CCc1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(C)cc4)c3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.65
MAPT P10636 2/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
PARP10 Q53GL7 8/20 0.63
PARP14 Q460N5 7/20 0.63
PARP1 P09874 1/20 0.60
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.52
GFER P55789 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL14277718 0.87 PARP14 (0.69) HTTMAPTCRHBPCRHR2PARP10
SCHEMBL8738334 0.87 PARP14 (0.78) HTTMAPTCRHBPCRHR2PARP10
SCHEMBL903593 0.87 MAPT (0.85) HTTMAPTCRHBPCRHR2PARP10
SCHEMBL257897 0.80 MEN1 (0.64) HTTMAPTCRHBPCRHR2PARP10
SCHEMBL903429 0.77 KMT2A (0.85) HTTMAPTCRHBPCRHR2KMT2A
SCHEMBL10144128 0.77 PARP14 (0.77) HTTMAPTCRHBPCRHR2PARP10
SCHEMBL16151037 0.76 MAPT (0.70) HTTMAPTCRHBPCRHR2PARP10
SCHEMBL26458618 0.75 LMNA (0.53) HTTMAPTLMNASMN1; SMN2GAA
SCHEMBL8737735 0.74 MEN1 (0.63) HTTMAPTLMNASMN1; SMN2GAA
SCHEMBL18753979 0.73 MAPT (0.69) HTTMAPTLMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041987-A1 SUBSTITUTED N-(2-ARYLAMINO)ARYL SULFONAMIDE-CONTAINING COMBINATIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 WO disclosed