SCHEMBL11488952

SCHEMBL11488952

Oc1nnnc2c1sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ GPR3 P46089 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EGFR P00533 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL24003252 0.77 PIM1 (0.40) ALDH1A1MAPTHCRTR1LMNAPOLB
SCHEMBL8894268 0.75 LIMK1 (0.65) LIMK1CDK5CDK5R1LMNAPOLB
SCHEMBL11477966 0.75 CLK1 (0.49) LIMK1MAPTLMNAL3MBTL1EGFR
SCHEMBL24003242 0.75 CYP1A2 (0.33) ALDH1A1MAPTHCRTR1LMNAPOLB
SCHEMBL15766397 0.73 LIMK1 (0.45) LIMK1CDK5CDK5R1GPR3ALDH1A1
Hydrochloric Acid SCHEMBL2495354 0.71 HRH4 (0.52) LIMK1CDK5CDK5R1GPR3ALDH1A1
SCHEMBL11479791 0.70 LIMK1 (0.52) LIMK1ALDH1A1MAPTALOX5LMNA
SCHEMBL25462165 0.69 KDM4E (0.40) LIMK1CDK5CDK5R1MAPTL3MBTL1
SCHEMBL25462168 0.69 RAB9A (0.38) LIMK1CDK5CDK5R1ALDH1A1ALOX15
SCHEMBL25462167 0.67 LIMK1 (0.38) LIMK1CDK5CDK5R1MAPTEGFR

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
US-4239887-A ANTIALLERGENS USV PHARMACEUTICAL CORPORATION (US) 1980-12-16 — — US disclosed
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