SCHEMBL11436038

SCHEMBL11436038

Cc1cc(C)c2cccc(C(=O)Nc3nnn[nH]3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CD38 P28907 5/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PIK3CA P42336 3/20 0.39
▸ MTOR P42345 3/20 0.39
▸ ALPL P05186 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL11435882 0.82 PARP1 (0.51) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL12892209 0.77 MAPT (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2662445 0.77 ALPL (0.61) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAPT
SCHEMBL11559491 0.76 KDR (0.51) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAPT
SCHEMBL9501879 0.75 NPC1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL10880639 0.75 ALPL (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAPT
SCHEMBL11195781 0.74 MAPT (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11442680 0.74 MEN1 (0.43) SMN1; SMN2KMT2AMEN1MAPTRAB9A
SCHEMBL11428491 0.72 KDM4E (0.56) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL8612811 0.72 GRM5 (0.57) SMN1; SMN2MAPTRAB9AKDM4ENPC1

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-4186201-A ANTIALLERGIC AGENTS RIKER LABORATORIES, INC. (US) 1980-01-29 — — US disclosed
US-4147694-A ANTIALLERGENS, ANTIHISTAMINES RIKER LABORATORIES, INC. (US) 1979-04-03 — — US disclosed
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