SCHEMBL11587993

SCHEMBL11587993

CCCCN(CCCC)c1ccc(N=C2C=C(C)C(=N)C=C2N)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30

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
SCHEMBL11790187 0.80 PABPC1 (0.50) PABPC1
Hydrochloric Acid SCHEMBL11798958 0.79 PABPC1 (0.49) PABPC1
SCHEMBL15018604 0.78 CYP1A2 (0.32) —
SCHEMBL15018684 0.78 CYP1A2 (0.32) —
SCHEMBL20853547 0.77 TDP1 (0.36) —
SCHEMBL16369064 0.76 CYP1A2 (0.30) —
SCHEMBL20853519 0.76 CYP1A2 (0.30) —
SCHEMBL20853538 0.75 CHUK (0.32) —
SCHEMBL15037538 0.75 CHUK (0.32) —
SCHEMBL16330367 0.75 PABPC1 (0.35) PABPC1EGFRERBB2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093640-A HAIR DYES L'OREAL (FR) 1978-06-06 — — US disclosed
US-3984443-A Indamines for dyeing keratinic fibers L'OREAL (FR) 1976-10-05 — — US disclosed
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