SCHEMBL11193303

SCHEMBL11193303

O=C1NCC2NCCc3c2n1c1ccccc31

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PARP1 P09874 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTR6 P50406 4/20 0.34

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
Hydrochloric Acid SCHEMBL11191037 0.99 HSD17B10 (0.47) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL10836067 0.82 HSD17B10 (0.50) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL11470919 0.80 HSD17B10 (0.57) HSD17B10MEN1HPGDKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11469730 0.79 HSD17B10 (0.60) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL11187623 0.79 HSD17B10 (0.41) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL11187463 0.76 HSD17B10 (0.39) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL11185140 0.76 HSD17B10 (0.39) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL11070535 0.76 CYP3A4 (0.46) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL11192598 0.74 HSD17B10 (0.54) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL11185552 0.74 HPGD (0.38) HSD17B10MEN1HPGDKMT2AALDH1A1

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-4367230-A ANTIANOXIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1983-01-04 — — US disclosed
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