SCHEMBL9498729

SCHEMBL9498729

N#Cc1c(-c2ccc(CBr)cc2)nc2ccccn12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NR1I3 Q14994 4/20 0.43
▸ TRIM33 Q9UPN9 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TRIM24 O15164 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ NTRK1 P04629 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
SCHEMBL22615060 0.82 KDM4E (0.54) RAB9ANPC1KDM4EMAPTNR1I3
SCHEMBL9498700 0.82 NPC1 (0.58) RAB9ANPC1KDM4EMAPTPOLB
SCHEMBL25789153 0.72 NPC1 (0.44) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL24463224 0.71 KDM4E (0.47) RAB9ANPC1KDM4EMAPTPOLB
SCHEMBL22614948 0.71 KDM4E (0.45) RAB9ANPC1KDM4EMAPTNR1I3
SCHEMBL22615012 0.71 PLAU (0.49) RAB9ANPC1KDM4EMAPTNR1I3
SCHEMBL18203556 0.70 RAB9A (0.51) RAB9ANPC1KDM4EMAPTNR1I3
SCHEMBL9042063 0.70 PDE9A (0.32) KDM4EMAPTHTTALDH1A1GLA
SCHEMBL24517108 0.70 KDM4E (0.44) RAB9ANPC1KDM4EMAPTNR1I3
SCHEMBL24517330 0.70 PLAU (0.46) RAB9ANPC1KDM4EMAPTNR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225414-A SUBSTITUTED AZOLES, A PROCESS FOR THEIR PREPARATION, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 — — US disclosed
EP-0468372-A2 Substituted azoles, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-29 — — EP disclosed
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