SCHEMBL29694265

SCHEMBL29694265

O=C(N[C@@H]1CCCc2ccccc21)c1csc(C2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TAS1R3 Q7RTX0 4/20 0.52
TAS1R1 Q7RTX1 4/20 0.52
TAS1R2 Q8TE23 3/20 0.52
CNR1 P21554 3/20 0.52
CNR2 P34972 2/20 0.52
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2D6 P10635 1/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47

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
Hydrochloric Acid SCHEMBL4755003 0.78 ALDH1A1 (0.47) HTTALDH1A1KDM4ETAS1R3TAS1R1
Hydrochloric Acid SCHEMBL2584364 0.78 ALDH1A1 (0.47) HTTALDH1A1KDM4ETAS1R3TAS1R1
SCHEMBL13422228 0.76 TYR (0.51) ALDH1A1TSHRKMT2ANPC1RAB9A
SCHEMBL16392254 0.75 TDP1 (0.53) L3MBTL1
SCHEMBL29359744 0.75 ALDH1A1 (0.57) HTTALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL29563786 0.75 HTT (0.65) HTTALDH1A1TSHRKDM4ETAS1R3
SCHEMBL13422232 0.75 ATM (0.51) ALDH1A1TSHRTAS1R3TAS1R1L3MBTL1
SCHEMBL13455694 0.75 DHODH (0.44) HTTALDH1A1TSHRKDM4ETAS1R3
SCHEMBL20542696 0.75 LMNA (0.45) HTTALDH1A1TSHRKDM4ETAS1R3
SCHEMBL29572713 0.74 HTT (0.61) HTTALDH1A1TSHRKDM4ETAS1R3

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-2022118019-A1 REDUCED SURFACTANT PESTICIDE FORMULATIONS PANGAEA AGROCHEMICALS LIMITED (GB) 2022-06-09 WO disclosed