SCHEMBL24901360

SCHEMBL24901360

CNc1ccc(C#Cc2ccc(N3CCNCC3)cc2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HTR6 P50406 5/20 0.44
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ADRB1 P08588 2/20 0.39
SERPINE1 P05121 2/20 0.39
CETP P11597 1/20 0.38
HNF4A P41235 1/20 0.38
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 3/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL24901420 0.87 MAPT (0.43) MAPTPOLBHTR6TSHRSERPINE1
SCHEMBL24901281 0.87 ACACB (0.48) MAPTPOLBALDH1A1KDM4E
SCHEMBL24893377 0.85 HTT (0.42) MAPTHTR6USP2ALDH1A1TSHR
SCHEMBL24901299 0.85 KDM4E (0.49) MAPTALDH1A1KDM4ESERPINE1HNF4A
SCHEMBL24901428 0.76 PRKDC (0.46) MAPTALDH1A1KDM4E
SCHEMBL24901336 0.76 TERT (0.41) MAPTPOLBALDH1A1KDM4E
SCHEMBL13460198 0.74 USP2 (0.47) MAPTPOLBHTR6USP2ALDH1A1
SCHEMBL24893376 0.74 HTT (0.55) MAPTPOLBALDH1A1KDM4ESERPINE1
SCHEMBL24893490 0.74 MMP13 (0.49)
SCHEMBL24893399 0.73 NPC1 (0.43) HTR6ALDH1A1KDM4ESERPINE1

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-4119138-A1 DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS Universität Hamburg (DE) 2023-01-18 EP disclosed