SCHEMBL11050091

SCHEMBL11050091

CCc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ PLK1 P53350 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ SLC5A2 P31639 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL6972732 0.85 NOTUM (0.39) TAAR1NPC1RAB9ACYP2A6CYP1A2
SCHEMBL6971279 0.81 HRH3 (0.38) TAAR1HRH3
SCHEMBL28216766 0.81 ESR1 (0.48) TAAR1
SCHEMBL11047959 0.81 HSP90AB1 (0.47) TAAR1ALDH1A1LMNA
SCHEMBL28260270 0.81 HTR2C (0.40) TAAR1ALDH1A1LMNAMAPTHPGD
SCHEMBL3149298 0.81 L3MBTL1 (0.49) SMN1; SMN2NPC1RAB9AHRH3CYP1A2
SCHEMBL11049508 0.80 LTA4H (0.47) SMN1; SMN2CYP2D6ALDH1A1LMNAHPGD
SCHEMBL649075 0.80 ALDH1A1 (0.46) SMN1; SMN2TAAR1RAB9AHRH3CYP1A2
Immethridine SCHEMBL845141 0.78 HRH4 (0.44) SMN1; SMN2HRH3CYP1A2CYP2D6ALDH1A1
SCHEMBL8001600 0.77 — —

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-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 — — US claimed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 — — EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 — — US disclosed
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