SCHEMBL8367694

SCHEMBL8367694

COc1nc(Cl)nc(NCCN)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
CA12 O43570 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
SCHEMBL9789563 0.84 KMT2A (0.53) CYP1A2CYP2C19RAB9ANPC1LMNA
SCHEMBL9789561 0.84 KMT2A (0.53) CYP1A2CYP2C19RAB9ANPC1LMNA
SCHEMBL9789558 0.84 KMT2A (0.53) CYP1A2CYP2C19RAB9ANPC1LMNA
SCHEMBL17564599 0.83 HPGD (0.46) CYP1A2RAB9ANPC1LMNACA1
SCHEMBL28999683 0.83 CYP1A2 (0.49) CYP1A2CYP2C19RAB9ANPC1LMNA
SCHEMBL7519862 0.81 LMNA (0.48) LMNACA1CA2CA9TSHR
SCHEMBL9528867 0.80 LMNA (0.67) CYP1A2CYP2C19LMNAKMT2AGAA
SCHEMBL10479971 0.79 CYP1A2 (0.49) CYP1A2CYP2C19RAB9ALMNACA1
SCHEMBL17564588 0.77 LMNA (0.73) CYP1A2CYP2C19LMNAKMT2AGAA
SCHEMBL17564584 0.76 KMT2A (0.49) LMNACA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906943-A1 RECORDING FLUIDS CONTAINING COPPER-PHTHALOCYANINE COMPOUNDS NIPPON KAYAKU CO., LTD. (JP) 1999-04-07 EP disclosed
EP-0203585-B1 CUPROPHTHALOCYANINE TYPE COMPOUNDS AND DYEING METHOD USING SAID COMPOUNDS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed
US-4771132-A CELLULOSIC FIBER DYES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1988-09-13 US disclosed
EP-0203585-A2 Cuprophthalocyanine type compounds and dyeing method using said compounds NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-12-03 EP disclosed