SCHEMBL9811796

SCHEMBL9811796

C=CCN(CC=C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 2/20 0.43
LMNA P02545 1/20 0.43
CCR6 P51684 1/20 0.43
CHKA P35790 2/20 0.41
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DHFR P00374 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ESR1 P03372 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL6692403 0.91 CHKA (0.46) ALDH1A1HPGDALOX12LMNACCR6
SCHEMBL83762 0.87 CHKA (0.46) ALDH1A1CHKACYP1A2TSHRMEN1
SCHEMBL11032897 0.87 CHKA (0.46) ALDH1A1CHKACYP1A2TSHRMEN1
Hydrochloric Acid SCHEMBL4050783 0.85 CHKA (0.44) CHKACYP1A2TSHRDHFRMEN1
Ammonia Solution, Strong SCHEMBL7942696 0.85 CHKA (0.44) ALDH1A1HPGDALOX12LMNACCR6
SCHEMBL851567 0.84 CHKA (0.50) ALDH1A1CHKACYP1A2L3MBTL1CYP3A4
SCHEMBL3435243 0.83 CHKA (0.41) CHKACYP1A2TSHRDHFRMEN1
Nitrogen SCHEMBL11130833 0.83 CHKA (0.43) CHKACYP1A2TSHRDHFRMEN1
SCHEMBL5824161 0.82 S1PR1 (0.39) ALDH1A1HPGDALOX12LMNACCR6
SCHEMBL3265246 0.81 ALDH1A1 (0.41) ALDH1A1HPGDALOX12LMNACCR6

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-5069999-A PRESENSITIZED FUJI PHOTO FILM CO., LTD. (JP) 1991-12-03 US disclosed