SCHEMBL6505495

SCHEMBL6505495

O=Cc1ccc(C#CCN2CCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.35
GRM5 P41594 2/20 0.35

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
SCHEMBL4112330 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6504486 0.81 PIM1 (0.47) POLBTDP1RAB9AGAA
SCHEMBL6504488 0.81 PIM1 (0.47) POLBTDP1RAB9AGAA
SCHEMBL6529609 0.79 KMT2A (0.43) ALDH1A1KMT2AMAPTPOLBLMNA
SCHEMBL6532625 0.79 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4118482 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL13690186 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6505839 0.72 PPARG (0.46) ALDH1A1MEN1KMT2AALOX15MAPT
SCHEMBL4112753 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4106912 0.72 NPC1 (0.44) ALDH1A1MEN1KMT2AUSP2CDK4

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-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed