SCHEMBL9388513

SCHEMBL9388513

NC(N)(N)[C]C(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 4/20 0.50
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KIF11 P52732 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL11773264 0.89 KCNN4 (0.55) KCNN4CA1CA2CA5ACA9
SCHEMBL11651682 0.74 KCNN4 (0.50) KCNN4CA1CA2CA5ACA9
SCHEMBL9092262 0.74 KCNN4 (0.50) KCNN4TSHRALDH1A1TAAR1CYP1A2
SCHEMBL6379499 0.74 KCNN4 (0.50) KCNN4CA1CA2CA5ACA9
SCHEMBL7196239 0.70 KCNN4 (0.46) KCNN4TSHRALDH1A1TAAR1CYP1A2
SCHEMBL15366 0.70 KCNN4 (0.69) KCNN4CA1CA2CA5ACA9
SCHEMBL6145 0.69 KCNN4 (0.58) KCNN4TSHRALDH1A1TAAR1MAPK1
SCHEMBL28579005 0.69 KCNN4 (0.58) KCNN4CA1CA2CA5ACA9
Hydrochloric Acid SCHEMBL1165109 0.67 KCNN4 (0.65) KCNN4CA1CA2CA5ACA9
Methane SCHEMBL20815707 0.67 KCNN4 (0.65) KCNN4CA1CA2CA5ACA9

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
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 — — WO claimed
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 — — WO disclosed
WO-1994012465-A1 POLYAMIDES AND POLYPYRROLONES FOR FLUID SEPARATION MEMBRANES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-06-09 — — WO disclosed
US-5262056-A Polyamides and polypyrrolones for fluid separation membranes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-11-16 — — US disclosed
US-5262056-A Polyamides and polypyrrolones for fluid separation membranes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-11-16 — — US disclosed
Send feedback