SCHEMBL11711879

SCHEMBL11711879

Sc1ccc(-n2cnnn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.64
MAPT P10636 2/20 0.64
F2 P00734 1/20 0.64
KCNJ1 P48048 4/20 0.60
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Benzenethiol SCHEMBL5288343 0.92 NOTUM (0.71) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11828798 0.88 KCNJ1 (0.68) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11828805 0.88 KCNJ1 (0.58) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL1163779 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11831417 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL82595 0.78 MAPT (0.69) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL311636 0.78 MAPT (1.00) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11118984 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL4582384 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL17993966 0.78 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1

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-4036849-A ANTIMICROBIAL AMERICAN CYANAMID COMPANY (US) 1977-07-19 US claimed
US-4036849-A ANTIMICROBIAL AMERICAN CYANAMID COMPANY (US) 1977-07-19 US disclosed
US-3932440-A MICROBIOCIDE AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed