SCHEMBL31361978

SCHEMBL31361978

CN(C)c1ccc2[nH]cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.56
TERT O14746 1/20 0.48
APP P05067 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
QPCT Q16769 2/20 0.45
EGFR P00533 2/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
POLB P06746 1/20 0.41
MMP12 P39900 1/20 0.41
PRKCI P41743 1/20 0.40

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
SCHEMBL3795673 1.00 IP6K1 (0.56) IP6K1TERTAPPMEN1NPC1
SCHEMBL13127442 0.86 IP6K1 (0.50) IP6K1MEN1NPC1RAB9AKMT2A
SCHEMBL22130605 0.85 IP6K1 (0.60) IP6K1TERTAPPMEN1NPC1
SCHEMBL16643967 0.82 IP6K1 (0.40) IP6K1MEN1NPC1RAB9AKMT2A
SCHEMBL1725155 0.80 RAB9A (0.44) IP6K1MEN1NPC1RAB9AKMT2A
SCHEMBL21793243 0.79 RAB9A (0.43) IP6K1MEN1NPC1RAB9AKMT2A
SCHEMBL2544100 0.79 QPCT (0.72) IP6K1MEN1NPC1RAB9AKMT2A
SCHEMBL2543317 0.76 KMT2A (0.58) IP6K1MEN1NPC1RAB9AKMT2A
SCHEMBL1250263 0.76 APP (0.46) IP6K1APPMEN1NPC1RAB9A
SCHEMBL21794838 0.76 ROCK2 (0.47) IP6K1MEN1NPC1RAB9AKMT2A

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
CN-119409683-A Benzimidazole compound and application thereof 中国药科大学 2025-02-11 CN disclosed