SCHEMBL11737952

SCHEMBL11737952

Cc1c(-c2ccccc2)sc2nc(C(=O)O)[nH]c(=O)c12.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SENP8 Q96LD8 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
SCHEMBL11737959 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL8189628 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL8189689 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL14875833 0.80 DHFR (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2RXFP1
SCHEMBL11491031 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL14875747 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL5265815 0.78 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL14875630 0.76 ADORA3 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL13343736 0.76 RXFP1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3
SCHEMBL11479996 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA3

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-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 — — US disclosed
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