SCHEMBL9587693

SCHEMBL9587693

CCc1cnccc1CCCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
TRPV1 Q8NER1 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
FTO Q9C0B1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
KIF11 P52732 2/20 0.39
ESRRG P62508 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9587140 0.97 KCNH2 (0.43) KCNH2TRPV1LMNAALDH1A1HTT
SCHEMBL9587444 0.83 NPC1 (0.46) TRPV1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9587317 0.82 TBXAS1 (0.44) KCNH2L3MBTL1MAPTTDP1
SCHEMBL9588340 0.81 TDP1 (0.49) L3MBTL1TDP1
SCHEMBL9587917 0.81 TBXAS1 (0.46) KCNH2L3MBTL1TDP1
SCHEMBL9588643 0.80 TDP1 (0.47) L3MBTL1SIGMAR1MAPTTDP1
SCHEMBL9587577 0.80 TDP1 (0.47) L3MBTL1SIGMAR1MAPTTDP1
SCHEMBL9587804 0.80 TDP1 (0.47) L3MBTL1SIGMAR1MAPTTDP1
SCHEMBL9589128 0.80 TDP1 (0.47) L3MBTL1SIGMAR1MAPTTDP1
SCHEMBL9846259 0.78 CYP2E1 (0.36) L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US claimed
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed
EP-0383950-A1 PYRIDINE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-29 EP disclosed