SCHEMBL10492874

SCHEMBL10492874

Cc1ccc(C(c2ccccc2)c2cc(C)c(N)cc2N)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CACNA2D1 P54289 4/20 0.38
▸ CACNA1B Q00975 4/20 0.38
▸ CACNB1 Q02641 4/20 0.38
▸ CACNA1C Q13936 2/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CASR P41180 1/20 0.33
▸ TP53 P04637 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL8579882 0.89 CYP3A4 (0.38) TDP1ALDH1A1CYP3A4ALOX15
SCHEMBL6229251 0.85 CACNA2D1 (0.43) TDP1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL8130850 0.82 CYP3A4 (0.43) TDP1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL11410686 0.82 CACNA2D1 (0.43) TDP1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL6225152 0.79 CACNA2D1 (0.41) TDP1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL22044345 0.79 TP53 (0.45) TDP1ALDH1A1CACNA1CTP53MAPT
Dimethylamine SCHEMBL10775328 0.78 CYP3A4 (0.39) TDP1ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL28359145 0.75 CACNA2D1 (0.41) TDP1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL22044344 0.75 ALDH1A1 (0.45) TDP1ALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL28204747 0.75 TP53 (0.45) TDP1ALDH1A1CACNA1CTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868225-A STERICALLY HINDERED META-PHENYLENEDIAMINE CHAIN EXTENDER FOR POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1989-09-19 — — US disclosed
US-4866208-A CURING AGENT FOR EPOXY RESINS; EXTENDERS FOR POLYUREA-URETHANE COPOLYMERS THE DOW CHEMICAL COMPANY (US) 1989-09-12 — — US disclosed
US-4792623-A CURING AGENT, EXTENDER THE DOW CHEMICAL COMPANY (US) 1988-12-20 — — US disclosed
EP-0082258-B1 SUBSTITUTED M-PHENYLENEDIAMINES THE DOW CHEMICAL COMPANY (US) 1986-02-19 — — EP disclosed
EP-0082258-A1 Substituted m-phenylenediamines THE DOW CHEMICAL COMPANY (US) 1983-06-29 — — EP disclosed
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