SCHEMBL376253

SCHEMBL376253

CCc1cc(N2CCC(O)(Cc3ccccc3F)CC2)ccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
METAP2 P50579 1/20 0.38
RORC P51449 3/20 0.37
RAB9A P51151 1/20 0.37
GRIN2B Q13224 1/20 0.36
TTR P02766 1/20 0.35
HIF1A Q16665 1/20 0.35
RET P07949 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
FABP3 P05413 1/20 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
SCHEMBL376529 0.86 BCL2L1 (0.40) MRGPRX4MEN1KMT2AHTTRORC
SCHEMBL376254 0.76 ALDH1A1 (0.45) MEN1KMT2AHTTMAPTTP53
SCHEMBL17848532 0.73 RIPK1 (0.46) MEN1KMT2AHTTMETAP2RAB9A
SCHEMBL28804991 0.73 IP6K1 (0.56) MRGPRX4MEN1KMT2AHTTRAB9A
SCHEMBL11250568 0.71 DPP4 (0.44) MEN1KMT2AMETAP2RAB9AGRIN2B
SCHEMBL5239394 0.71 ALDH1A1 (0.63) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL22551217 0.71 KDM4E (0.49) HTTMAPTTP53KDM4EALDH1A1
SCHEMBL11255386 0.70 RIPK1 (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL27805528 0.70 USP2 (0.43) MRGPRX4MEN1KMT2ARORCMAPT
SCHEMBL7133586 0.69 NPC1 (0.53) KMT2ARAB9AMAPTKDM4EALDH1A1

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
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed